20134-29-6

CNP0236431.1 · C20H26O7 · View on COCONUT ↗

2D Structure

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Identifiers

Name	20134-29-6
IUPAC Name	(1~{S},2~{S},3~{S},4~{S},5~{S},8~{R},9~{R},12~{S})-8-formyl-5,12-dihydroxy-4-methyl-13-methylene-tetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid
COCONUT ID	CNP0236431.1
InChIKey	HRIAGYDCQBIJJM-ARCJWRNYSA-N
InChI	InChI=1S/C20H26O7/c1-10-7-19-8-20(10,27)6-3-11(19)18(9-21)5-4-12(22)17(2,16(25)26)14(18)13(19)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12-,13+,14+,17+,18+,19-,20-/m0/s1
SMILES	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O

Properties

Molecular Formula	C20H26O7
Molecular Weight	378.42
Exact Mass	378.16785
Log P (ALogP)	1.23
TPSA	132.13
H-Bond Donors / Acceptors	4 / 5
Rotatable Bonds	3
Lipinski's Rule of 5 Violations	0
QED Drug-likeness	0.43
NP-likeness	3.27

Classification

NP Pathway	Terpenoids
NP Superclass	Diterpenoids
NP Class	Gibberellins
Chemical Superclass	Lipids and lipid-like molecules
Chemical Class	Prenol lipids
Chemical Subclass	Diterpenoids

Reported in GR-MAPs Plants

Oryza sativa	as “Oryza sativa” in COCONUT

References (12)

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.

COCONUT Compound